2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine

C77H63N3 — CID 118065693

IUPAC2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5cccc(-c6ccc7c(c6)CC7)c5)ccc3-4)cc21
InChIInChI=1S/C77H63N3/c1-75(2)69-28-17-16-27-63(69)64-38-35-60(47-70(64)75)80(61-36-41-67-65-39-33-58(45-71(65)76(3,4)73(67)48-61)78(54-20-10-7-11-21-54)55-22-12-8-13-23-55)62-37-42-68-66-40-34-59(46-72(66)77(5,6)74(68)49-62)79(56-24-14-9-15-25-56)57-26-18-19-51(44-57)53-32-30-50-29-31-52(50)43-53/h7-28,30,32-49H,29,31H2,1-6H3
InChIKeyAOEMRUGOIYNFKJ-UHFFFAOYSA-N
MW1030.37 g/mol
LogP20.78
Rot. Bonds10

About 2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine

2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine (PubChem CID 118065693) has the molecular formula C77H63N3 and a molecular weight of 1030.37 g/mol. Its IUPAC name is 2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine
PubChem CID118065693
Molecular FormulaC77H63N3
Molecular Weight1030.37 g/mol
Exact Mass1029.50
IUPAC Name2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5cccc(-c6ccc7c(c6)CC7)c5)ccc3-4)cc21
InChIInChI=1S/C77H63N3/c1-75(2)69-28-17-16-27-63(69)64-38-35-60(47-70(64)75)80(61-36-41-67-65-39-33-58(45-71(65)76(3,4)73(67)48-61)78(54-20-10-7-11-21-54)55-22-12-8-13-23-55)62-37-42-68-66-40-34-59(46-72(66)77(5,6)74(68)49-62)79(56-24-14-9-15-25-56)57-26-18-19-51(44-57)53-32-30-50-29-31-52(50)43-53/h7-28,30,32-49H,29,31H2,1-6H3
InChIKeyAOEMRUGOIYNFKJ-UHFFFAOYSA-N
XLogP20.78
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001030.37
LogP ≤ 520.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-N-[4-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]phenyl]-7,9,9-trimethylfluoren-2-amine
CID 118065696
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[6-[6-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]phenyl]-N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 90164114
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 176611399
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404

Frequently Asked Questions

What is the IUPAC name of 2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine?
The IUPAC name of 2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine (CID 118065693) is 2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine.
What is the SMILES notation for 2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine?
The canonical SMILES for 2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccccc5)ccc3-4)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5cccc(-c6ccc7c(c6)CC7)c5)ccc3-4)cc21.
What is the InChIKey of 2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine?
The InChIKey is AOEMRUGOIYNFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H63N3/c1-75(2)69-28-17-16-27-63(69)64-38-35-60(47-70(64)75)80(61-36-41-67-65-39-33-58(45-71(65)76(3,4)73(67)48-61)78(54-20-10-7-11-21-54)55-22-12-8-13-23-55)62-37-42-68-66-40-34-59(46-72(66)77(5,6)74(68)49-62)79(56-24-14-9-15-25-56)57-26-18-19-51(44-57)53-32-30-50-29-31-52(50)43-53/h7-28,30,32-49H,29,31H2,1-6H3.
What are the key properties of 2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine?
2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine has a molecular weight of 1030.37 g/mol, XLogP of 20.78, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine is sourced from PubChem (CID 118065693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).